[(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-piperidin-2-yl]-1-phenyl-ethyl] propanoate

Systemtic Name: [(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-piperidin-2-yl]-1-phenyl-ethyl] propanoate Openeye Name: [(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-2-piperidyl]-1-phenyl-ethyl] propanoate CAS Name: propanoic acid [(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-2-piperidinyl]-1-phenylethyl] ester IUPAC Name: [(1S)-2-[(2S,6R)-1-methyl-6-phenacylpiperidin-2-yl]-1-phenylethyl] propanoate Traditional Name: propionic acid [(1S)-2-[(2S,6R)-1-methyl-6-phenacyl-2-piperidyl]-1-phenyl-ethyl] ester Formula: C25H31NO3 MolecularWeight: 393.51854

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC(CC1CCCC(N1C)CC(=O)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(=O)O[C@@H](C[C@@H]1CCC[C@@H](N1C)CC(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H31NO3/c1-3-25(28)29-24(20-13-8-5-9-14-20)18-22-16-10-15-21(26(22)2)17-23(27)19-11-6-4-7-12-19/h4-9,11-14,21-22,24H,3,10,15-18H2,1-2H3/t21-,22+,24+/m1/s1